Information card for entry 7204290

Structure parameters

• Formula: C28 H18 N4 O4 S4
• Calculated formula: C28 H18 N4 O4 S4
• SMILES: C1COC2=C(O1)SC(S2)=C1SC2=C(OCCO2)S1.C(#N)C(C#N)c1ccc(c2ccc(C(C#N)C#N)cc2)cc1
• Title of publication: Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/
• Authors of publication: Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1693
• a: 5.4345 ± 0.0007 Å
• b: 8.718 ± 0.001 Å
• c: 14.358 ± 0.001 Å
• α: 79.531 ± 0.008°
• β: 88.09 ± 0.009°
• γ: 84.89 ± 0.01°
• Cell volume: 666.17 ± 0.13 ų
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 0.488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No